SCHEMBL29951886

SCHEMBL29951886

COc1cc(B(O)O)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.49
PGR P06401 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
IMPDH2 P12268 2/20 0.43
IMPDH1 P20839 1/20 0.43
ENPP2 Q13822 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL249673 1.00 AR (0.49) ARPGRALDH1A1KDM4EUSP2
SCHEMBL3274361 0.89 ALDH1A1 (0.56) ARPGRALDH1A1KDM4EUSP2
SCHEMBL29821479 0.89 ALDH1A1 (0.56) ARPGRALDH1A1KDM4EUSP2
SCHEMBL20562380 0.81 XDH (0.41) ARALDH1A1KDM4EENPP2
SCHEMBL20659217 0.81 XDH (0.42) ARENPP2
SCHEMBL29821611 0.81 XDH (0.42) ARENPP2
SCHEMBL22228582 0.78 ENPP2 (0.39) ARENPP2
SCHEMBL30128828 0.78 ENPP2 (0.39) ARENPP2
SCHEMBL22683774 0.77 HPGD (0.41) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL23114 0.77 ENPP2 (0.52) ALDH1A1ENPP2CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747241-A1 BENZIMIDAZOLE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-05-27 EP disclosed
WO-2025021537-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed